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  • [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers

  • [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers

    Catalog Number
    ACM609771633
    Product Name
    [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers
    Structure
    CAS
    609771-63-3
    Category
    3D Printing Materials
    Synonyms
    3'H-Cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3'butanoic acid,3'Phenyl-3'H-cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3'butanoic acid, methyl ester
    Description
    [6,6]-Phenyl C71 butyric acid methyl ester, mixture of isomers ([70]PCBM), is a high fullerene analog to [60]PCBM, which has an enhanced absorption of light in the visible region. It can be used in the development of electrochemical devices with a high current density.
    Molecular Weight
    1030.99
    Molecular Formula
    C82H14O2
    Canonical SMILES
    COC(=O)CCCC2(c1ccccc1)C34c5c6ccc7c8cc9Cc%10cc%11cc%12Cc%13cc%14c%15ccc6c3c%15c%16c%17c%18c%19c(c(c57)c8c%20c9c%10c%21c%11c%22c%12c%13c(c%14%16)c%18c%22c%21c%19%20)C24%17
    InChI
    InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3
    InChI Key
    AZSFNTBGCTUQFX-UHFFFAOYSA-N
    Solubility
    chlorobenzene: soluble;organic solvents: soluble;toluene: soluble
    Application
    [70]PCBM and PCDTBT can be used as an acceptor and donor based fullerene derivative, which can be used in the fabrication of organic photovoltaics. It may be used with P3HT as an electron transporting material for the fabrication of solar cells with higher power efficiency.
    Storage
    room temp
    Complexity
    4760
    Covalently-Bonded Unit Count
    1
    Exact Mass
    1030.09938g/mol
    Formal Charge
    0
    Heavy Atom Count
    84
    Monoisotopic Mass
    1030.09938g/mol
    Packaging
    100, 500 mg in glass insert
    Rotatable Bond Count
    6
    XLogP3
    21.4
    If you have any other questions or need other size, please get a quote.
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